C795-1386 Screening compound: {[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl}[(thiophen-2-yl)methyl]amine

C795-1386 Screening compound: {[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl}[(thiophen-2-yl)methyl]amine
C795-1386 Screening compound: {[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl}[(thiophen-2-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1386
{[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl}[(thiophen-2-yl)methyl]amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C795-1386

Molecular Formula

C17H19N3S (C17 H19 N3 S)

Compound Name

{[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl}[(thiophen-2-yl)methyl]amine

IUPAC name

{[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl}[(thiophen-2-yl)methyl]amine

SMILES

CCc(cc1)ccc1-c1c(CNCc2cccs2)cn[nH]1

InChI

InChI=1S/C17H19N3S/c1-2-13-5-7-14(8-6-13)17-15(11-19-20-17)10-18-12-16-4-3-9-21-16/h3-9,11,18H,2,10,12H2,1H3,(H,19,20)

InChI Key

VNKHLQIDGUAENO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

1.232

Water Solubility, LogSw

-3.76

Polar Surface Area

37.213

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C795-1386 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C795-1386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1386?
Check Price and Availability of C795-1386, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C795-1386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1386
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C795-1386 available by request